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Compile Data Set for Download or QSAR

Found 6 hits with Last Name = 'al-khedhairy' and Initial = 'aa'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-glucuronidase (EcGUS)


(Escherichia coli (Enterobacteria))
BDBM152586
PNG
(D-Saccharic acid 1,4 lactone | D-Saccharic acid 1,...)
Show SMILES OC(C1OC(=O)C(O)C1O)C(O)=O
Show InChI InChI=1S/C6H8O7/c7-1-2(8)6(12)13-4(1)3(9)5(10)11/h1-4,7-9H,(H,10,11)
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.84E+4n/an/an/an/a7.037



University of Karachi



Assay Description
β-Glucuronidase inhibitory activity was evaluated by a biochemical assay, based on the measurement of the absorbance of p-nitrophenol at 405 nm,...


J Enzyme Inhib Med Chem 27: 348-55 (2012)


Article DOI: 10.3109/14756366.2011.590804
BindingDB Entry DOI: 10.7270/Q2N29VV5
More data for this
Ligand-Target Pair
Beta-glucuronidase (EcGUS)


(Escherichia coli (Enterobacteria))
BDBM50223368
PNG
(3beta-hydroxyandrost-5-en-17-one | CHEMBL90593 | D...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O
Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1
PDB

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UniProtKB/SwissProt

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CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


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Article
PubMed
n/an/a 7.79E+4n/an/an/an/a7.037



University of Karachi



Assay Description
β-Glucuronidase inhibitory activity was evaluated by a biochemical assay, based on the measurement of the absorbance of p-nitrophenol at 405 nm,...


J Enzyme Inhib Med Chem 27: 348-55 (2012)


Article DOI: 10.3109/14756366.2011.590804
BindingDB Entry DOI: 10.7270/Q2N29VV5
More data for this
Ligand-Target Pair
Beta-glucuronidase (EcGUS)


(Escherichia coli (Enterobacteria))
BDBM236514
PNG
(Androst-4-ene-3β,7β,17β-triol (8))
Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](O)CC1=C[C@@H](O)CC[C@]31C
Show InChI InChI=1S/C19H30O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h9,12-17,20-22H,3-8,10H2,1-2H3/t12-,13-,14-,15-,16-,17-,18-,19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.91E+5n/an/an/an/a7.037



University of Karachi



Assay Description
β-Glucuronidase inhibitory activity was evaluated by a biochemical assay, based on the measurement of the absorbance of p-nitrophenol at 405 nm,...


J Enzyme Inhib Med Chem 27: 348-55 (2012)


Article DOI: 10.3109/14756366.2011.590804
BindingDB Entry DOI: 10.7270/Q2N29VV5
More data for this
Ligand-Target Pair
Beta-glucuronidase (EcGUS)


(Escherichia coli (Enterobacteria))
BDBM236513
PNG
(Androst-4-ene-3β-ol-6,17-dione (7))
Show SMILES C[C@]12CC[C@H]3[C@@H](CC(=O)C4=C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O
Show InChI InChI=1S/C19H26O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,11-14,20H,3-8,10H2,1-2H3/t11-,12-,13-,14-,18+,19-/m0/s1
PDB

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UniProtKB/SwissProt

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PC cid
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UniChem
Article
PubMed
n/an/a 2.22E+5n/an/an/an/a7.037



University of Karachi



Assay Description
β-Glucuronidase inhibitory activity was evaluated by a biochemical assay, based on the measurement of the absorbance of p-nitrophenol at 405 nm,...


J Enzyme Inhib Med Chem 27: 348-55 (2012)


Article DOI: 10.3109/14756366.2011.590804
BindingDB Entry DOI: 10.7270/Q2N29VV5
More data for this
Ligand-Target Pair
Beta-glucuronidase (EcGUS)


(Escherichia coli (Enterobacteria))
BDBM236512
PNG
(Androstane-3,17-dione (2))
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4CC(=O)CC[C@]34C)[C@@H]1CCC2=O
Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-16H,3-11H2,1-2H3/t12?,14-,15-,16-,18-,19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.74E+5n/an/an/an/a7.037



University of Karachi



Assay Description
β-Glucuronidase inhibitory activity was evaluated by a biochemical assay, based on the measurement of the absorbance of p-nitrophenol at 405 nm,...


J Enzyme Inhib Med Chem 27: 348-55 (2012)


Article DOI: 10.3109/14756366.2011.590804
BindingDB Entry DOI: 10.7270/Q2N29VV5
More data for this
Ligand-Target Pair
Beta-glucuronidase (EcGUS)


(Escherichia coli (Enterobacteria))
BDBM91713
PNG
(Androst-4-en-3,17-dione, 2 | Androst-4-ene-3,17-di...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
Show InChI InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.30E+5n/an/an/an/a7.037



University of Karachi



Assay Description
β-Glucuronidase inhibitory activity was evaluated by a biochemical assay, based on the measurement of the absorbance of p-nitrophenol at 405 nm,...


J Enzyme Inhib Med Chem 27: 348-55 (2012)


Article DOI: 10.3109/14756366.2011.590804
BindingDB Entry DOI: 10.7270/Q2N29VV5
More data for this
Ligand-Target Pair